CID 135429820

Nsc75952

Structural Information

Molecular Formula
C16H10F3N3O2
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)N=NC3=CC=CC(=C3)C(F)(F)F)O
InChI
InChI=1S/C16H10F3N3O2/c17-16(18,19)9-4-3-5-10(8-9)21-22-13-14(23)11-6-1-2-7-12(11)20-15(13)24/h1-8H,(H2,20,23,24)
InChIKey
ORYPRHGBFOTRPT-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.0725 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.07978 171.9
[M+Na]+ 356.06172 182.1
[M-H]- 332.06522 175.1
[M+NH4]+ 351.10632 184.9
[M+K]+ 372.03566 175.9
[M+H-H2O]+ 316.06976 160.5
[M+HCOO]- 378.07070 191.9
[M+CH3COO]- 392.08635 212.9
[M+Na-2H]- 354.04717 179.1
[M]+ 333.07195 168.7
[M]- 333.07305 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.